V023-0125 Screening compound: 2-(3-fluoro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-propyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V023-0125 Screening compound: 2-(3-fluoro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-propyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V023-0125 Screening compound: 2-(3-fluoro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-propyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-0125
2-(3-fluoro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-propyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V023-0125

Molecular Formula

C22H23FN4O3 (C22 H23 FN4 O3)

Compound Name

2-(3-fluoro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-propyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

2-(3-fluoro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-35-dioxo-N-propyl-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

CCCNC(C(C(N1Cc2cc(C)ccc2)=O)=NN(c2cc(F)c(C)cc2)C1=O)=O

InChI

InChI=1S/C22H23FN4O3/c1-4-10-24-20(28)19-21(29)26(13-16-7-5-6-14(2)11-16)22(30)27(25-19)17-9-8-15(3)18(23)12-17/h5-9,11-12H,4,10,13H2,1-3H3,(H,24,28)

InChI Key

QJZPOHGIFKKCKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835111

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.14

Polar Surface Area

66.771

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V023-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-0125?
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What is the minimum amount of V023-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-0125
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V023-0125 available by request